| SpectraBase Spectrum ID |
9FYjVE0LITW |
| Name |
Pyrithyldione |
| CAS Registry Number |
77-04-3 |
| Collision Energy |
40 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
167.094628661 u |
| Formula |
C9H13NO2 |
| InChI |
InChI=1S/C9H13NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h5-6H,3-4H2,1-2H3,(H,10,12) |
| InChIKey |
NZASCBIBXNPDMH-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
167.208 g/mol |
| Nominal Mass |
167 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
166.087 |
| SMILES |
N1C=CC(C(C1=O)(CC)CC)=O |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
3,3-diethyl-1H-pyridine-2,4-dione |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_130.7 |
